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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jul-2024	/Ni_111/TS TS_CH2O+H__CH2OH	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-277.02363178; eV
	10-Sep-2024	Pt_NO3_2_keto4	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2004.20892642; eV
	30-May-2024	/CO3_react Au100-CO3hydr_1H2O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	30-May-2024	/CO3_react Au100-HCO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	6-Sep-2024	/M06L/V V01O04-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	29-Jul-2024	IRCTSF5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G(D) SDD	-1090.18622745; Eh
	10-Sep-2024	Pt_NO3_2_keto3S	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1979.95206707; eV
	6-Sep-2024	/M06L/V V02O07-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	31-May-2024	/Profiles/mpg-C₃N₄ H-VPH-mpg-C₃N₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	29-Jul-2024	TSE7N-goldful	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1074.16277357; Eh

Results 2231-2240 of 100136 (Search time: 0.004 seconds).